CID 53480930

Lysope(0:0/20:0)

Structural Information

Molecular Formula
C25H52NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChI
InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h24,27H,2-23,26H2,1H3,(H,29,30)/t24-/m1/s1
InChIKey
QEQAJJJSRGAOOG-XMMPIXPASA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

509.34814 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.35542 228.1
[M+Na]+ 532.33736 232.3
[M+NH4]+ 527.38196 231.5
[M+K]+ 548.31130 229.5
[M-H]- 508.34086 220.3
[M+Na-2H]- 530.32281 231.3
[M]+ 509.34759 226.6
[M]- 509.34869 226.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe